Premium
Molecular dynamics simulation studies of a complex fluid ‐solid interface ‐ the benzene‐alkane‐graphite system
Author(s) -
Hentschke Reinhard,
Kotelyanskii Michael J.,
Winkler Roland G.
Publication year - 1994
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.19940810125
Subject(s) - graphite , alkane , molecular dynamics , adsorption , context (archaeology) , interface (matter) , materials science , chemical physics , benzene , solid surface , nanotechnology , focus (optics) , chemistry , computational chemistry , organic chemistry , hydrocarbon , physics , composite material , optics , paleontology , gibbs isotherm , biology
Interfaces between solid surfaces and solutions are of considerable scientific as well as technological interest, in particular in the context of the adsorption and the formation and organization of molecular films. The realistic modeling of such complex interfaces on the molecular scale is an important testing ground for simulation techniques. Here we focus on the benzene‐alkane‐graphite interface as an example of the above class of systems, including surface induced segregation, adsorption, and structural aspects of the graphite‐solution interface.